Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | NNMT | P40261 | 5/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18642 | 0.92 | — | — | |
| Oxalic Acid SCHEMBL28308203 | 0.90 | ALDH1A1 (0.39) | NOS2ALDH1A1HTTIKBKETBK1 | |
| Fluoromethane SCHEMBL27694467 | 0.90 | ALDH1A1 (0.42) | NOS2ALDH1A1HTTIKBKETBK1 | |
| SCHEMBL27870651 | 0.90 | — | — | |
| Hydrazine SCHEMBL21408244 | 0.90 | ALDH1A1 (0.41) | NOS2ALDH1A1HTTIKBKETBK1 | |
| Hydrochloric Acid SCHEMBL3635891 | 0.90 | — | — | |
| Water SCHEMBL28295594 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL18765127 | 0.90 | ALDH1A1 (0.41) | NOS2ALDH1A1HTTIKBKETBK1 | |
| Hydrochloric Acid SCHEMBL18765335 | 0.90 | ALDH1A1 (0.41) | NOS2ALDH1A1HTTIKBKETBK1 | |
| Trimethylammonium SCHEMBL27541255 | 0.88 | NOS2 (0.39) | NOS2ALDH1A1HTTIKBKETBK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114867477-B | Crystalline forms of a plasma kallikrein inhibitor | 雷佐鲁特公司 | 2024-12-27 | — | — | CN | claimed |
| CN-114502531-B | Process for preparing plasma kallikrein inhibitors | 雷佐鲁特公司 | 2024-05-24 | — | — | CN | claimed |
| CN-114867477-A | Crystalline forms of a plasma kallikrein inhibitor | 雷佐鲁特公司 | 2022-08-05 | — | — | CN | claimed |
| CN-114867477-B | Crystalline forms of a plasma kallikrein inhibitor | 雷佐鲁特公司 | 2024-12-27 | — | — | CN | disclosed |
| CN-114867477-B | Crystalline forms of a plasma kallikrein inhibitor | 雷佐鲁特公司 | 2024-12-27 | — | — | CN | disclosed |
| CN-114502531-B | Process for preparing plasma kallikrein inhibitors | 雷佐鲁特公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-114867477-A | Crystalline forms of a plasma kallikrein inhibitor | 雷佐鲁特公司 | 2022-08-05 | — | — | CN | disclosed |
| CN-114867477-A | Crystalline forms of a plasma kallikrein inhibitor | 雷佐鲁特公司 | 2022-08-05 | — | — | CN | disclosed |
| CN-114502531-A | Process for preparing plasma kallikrein inhibitors | 雷佐鲁特公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-110520422-A | Novel pyridone carboxylic acid derivatives or its salt | WAKUNAGA PHARMA CO LTD | 2019-11-29 | — | — | CN | disclosed |